methyl 4-(chlorosulfonylamino)-2-methoxybenzoate

C9H10ClNO5S — CID 175564431

IUPACmethyl 4-(chlorosulfonylamino)-2-methoxybenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)Cl)cc1OC
InChIInChI=1S/C9H10ClNO5S/c1-15-8-5-6(11-17(10,13)14)3-4-7(8)9(12)16-2/h3-5,11H,1-2H3
InChIKeyYTQBLHGCWJSYOX-UHFFFAOYSA-N
MW279.70 g/mol
LogP1.38
Rot. Bonds4

About methyl 4-(chlorosulfonylamino)-2-methoxybenzoate

methyl 4-(chlorosulfonylamino)-2-methoxybenzoate (PubChem CID 175564431) has the molecular formula C9H10ClNO5S and a molecular weight of 279.70 g/mol. Its IUPAC name is methyl 4-(chlorosulfonylamino)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(chlorosulfonylamino)-2-methoxybenzoate
PubChem CID175564431
Molecular FormulaC9H10ClNO5S
Molecular Weight279.70 g/mol
Exact Mass279.00
IUPAC Namemethyl 4-(chlorosulfonylamino)-2-methoxybenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)Cl)cc1OC
InChIInChI=1S/C9H10ClNO5S/c1-15-8-5-6(11-17(10,13)14)3-4-7(8)9(12)16-2/h3-5,11H,1-2H3
InChIKeyYTQBLHGCWJSYOX-UHFFFAOYSA-N
XLogP1.38
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
CID 25045124
methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate
CID 25043144
methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3811980
methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate
CID 68527353
methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate
CID 20765748
methyl 2-methoxy-4-(2-methylpropylamino)benzoate
CID 83295320
4-(2,2-dimethylpropylsulfonylamino)-2-methoxybenzoic acid
CID 107208906
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
methyl 4-(benzylamino)-2-methoxybenzoate
CID 23068026
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
CID 171840730
CID 171840730
methyl 5-chlorosulfonyl-2-methoxybenzoate
CID 43436733

Frequently Asked Questions

What is the IUPAC name of methyl 4-(chlorosulfonylamino)-2-methoxybenzoate?
The IUPAC name of methyl 4-(chlorosulfonylamino)-2-methoxybenzoate (CID 175564431) is methyl 4-(chlorosulfonylamino)-2-methoxybenzoate.
What is the SMILES notation for methyl 4-(chlorosulfonylamino)-2-methoxybenzoate?
The canonical SMILES for methyl 4-(chlorosulfonylamino)-2-methoxybenzoate is COC(=O)c1ccc(NS(=O)(=O)Cl)cc1OC.
What is the InChIKey of methyl 4-(chlorosulfonylamino)-2-methoxybenzoate?
The InChIKey is YTQBLHGCWJSYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO5S/c1-15-8-5-6(11-17(10,13)14)3-4-7(8)9(12)16-2/h3-5,11H,1-2H3.
What are the key properties of methyl 4-(chlorosulfonylamino)-2-methoxybenzoate?
methyl 4-(chlorosulfonylamino)-2-methoxybenzoate has a molecular weight of 279.70 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(chlorosulfonylamino)-2-methoxybenzoate is sourced from PubChem (CID 175564431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).